3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine

C19H23F2N — CID 170215966

IUPAC3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine
SMILESCC(C)(CCC(C)(C)c1cc(F)cc(F)c1)c1cccnc1
InChIInChI=1S/C19H23F2N/c1-18(2,14-6-5-9-22-13-14)7-8-19(3,4)15-10-16(20)12-17(21)11-15/h5-6,9-13H,7-8H2,1-4H3
InChIKeyPDFIBGRJLRGJAN-UHFFFAOYSA-N
MW303.40 g/mol
LogP5.40
Rot. Bonds5

About 3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine

3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine (PubChem CID 170215966) has the molecular formula C19H23F2N and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine.

Molecular Properties

Compound Name3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine
PubChem CID170215966
Molecular FormulaC19H23F2N
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine
SMILESCC(C)(CCC(C)(C)c1cc(F)cc(F)c1)c1cccnc1
InChIInChI=1S/C19H23F2N/c1-18(2,14-6-5-9-22-13-14)7-8-19(3,4)15-10-16(20)12-17(21)11-15/h5-6,9-13H,7-8H2,1-4H3
InChIKeyPDFIBGRJLRGJAN-UHFFFAOYSA-N
XLogP5.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.40
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methyl-2-pyridin-3-ylpropane-1,3-diol
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3-(5-methylnonan-5-yl)pyridine
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2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
CID 146668087
tripyridin-3-ylmethanol
CID 177395677
1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol
CID 114080751
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(2S)-2-pyridin-3-ylbutan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine?
The IUPAC name of 3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine (CID 170215966) is 3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine.
What is the SMILES notation for 3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine?
The canonical SMILES for 3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine is CC(C)(CCC(C)(C)c1cc(F)cc(F)c1)c1cccnc1.
What is the InChIKey of 3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine?
The InChIKey is PDFIBGRJLRGJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N/c1-18(2,14-6-5-9-22-13-14)7-8-19(3,4)15-10-16(20)12-17(21)11-15/h5-6,9-13H,7-8H2,1-4H3.
What are the key properties of 3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine?
3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine has a molecular weight of 303.40 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine is sourced from PubChem (CID 170215966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).